# of_B97-3c 

! TightOpt
! Freq
! B97-3c SlowConv SMD(Acetonitrile)

%geom
maxiter 200
end

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
Cu      -9.606719000     -1.824408500    -11.156209500
Cl      -8.742277000     -2.083526000    -13.232113000
Cl     -11.802666500     -1.899020000    -11.680204500
Cu     -10.762644500     -0.851321500    -13.532977500
Cl      -6.715851000      1.376936500    -11.919711500
H      -12.016141500     -0.677709000    -14.432517500
N      -10.104725000      1.013702000    -13.171682500
C       -9.681847000      1.586656500    -12.254837000
C       -9.179740000      2.220874000    -11.108437500
C      -10.060866000      2.849472000    -10.215214000
C       -9.573378500      3.401099500     -9.047388500
C       -8.214925500      3.326243000     -8.758992500
C       -7.329036500      2.706113500     -9.633659500
C       -7.810820000      2.159591000    -10.805780500
H      -11.114696500      2.885569500    -10.452045500
H      -10.252374000      3.885940000     -8.358221500
H       -7.833502000      3.753244500     -7.841781500
H       -6.274354500      2.649414500     -9.404401500
I       -8.655179000     -1.269704500     -9.002606000
*
